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1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-8-phenylmethoxy-isoquinoline
SpectraBase Compound ID HGQdKgVOtsX
InChI InChI=1S/C38H33NO4/c1-40-35-20-18-32-21-22-39-33(37(32)38(35)43-27-30-15-9-4-10-16-30)23-31-17-19-34(41-25-28-11-5-2-6-12-28)36(24-31)42-26-29-13-7-3-8-14-29/h2-22,24H,23,25-27H2,1H3
InChIKey JMVDTZZAEMLMJG-UHFFFAOYSA-N
Mol Weight 567.7 g/mol
Molecular Formula C38H33NO4
Exact Mass 567.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfyXOWju2xX
Name 1-[[3,4-bis(phenylmethoxy)phenyl]methyl]-7-methoxy-8-phenylmethoxy-isoquinoline
Alternate Name(s) 8-Benzoxy-1-(3,4-dibenzoxybenzyl)-7-methoxy-isoquinoline 8-Benzyloxy-1-[(3,4-dibenzyloxyphenyl)methyl]-7-methoxy-isoquinoline
CAS Registry Number 113756-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H33NO4
InChI InChI=1S/C38H33NO4/c1-40-35-20-18-32-21-22-39-33(37(32)38(35)43-27-30-15-9-4-10-16-30)23-31-17-19-34(41-25-28-11-5-2-6-12-28)36(24-31)42-26-29-13-7-3-8-14-29/h2-22,24H,23,25-27H2,1H3
InChIKey JMVDTZZAEMLMJG-UHFFFAOYSA-N
Molecular Weight 567.685 g/mol
SMILES c12c(nccc2ccc(c1OCc1ccccc1)OC)Cc1cc(OCc2ccccc2)c(cc1)OCc1ccccc1
SPLASH splash10-0006-9000000000-0eccc8371b6991f3669c
Source of Spectrum Y-24-617-5
Wiley ID 1407451